(5S)-5-benzylimidazolidin-4-one

C10H12N2O — CID 174267947

IUPAC(5S)-5-benzylimidazolidin-4-one
SMILESO=C1NCN[C@H]1Cc1ccccc1
InChIInChI=1S/C10H12N2O/c13-10-9(11-7-12-10)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)/t9-/m0/s1
InChIKeyVJCFNANHVFYVOX-VIFPVBQESA-N
MW176.22 g/mol
LogP0.27
Rot. Bonds2

About (5S)-5-benzylimidazolidin-4-one

(5S)-5-benzylimidazolidin-4-one (PubChem CID 174267947) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (5S)-5-benzylimidazolidin-4-one.

Molecular Properties

Compound Name(5S)-5-benzylimidazolidin-4-one
PubChem CID174267947
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(5S)-5-benzylimidazolidin-4-one
SMILESO=C1NCN[C@H]1Cc1ccccc1
InChIInChI=1S/C10H12N2O/c13-10-9(11-7-12-10)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)/t9-/m0/s1
InChIKeyVJCFNANHVFYVOX-VIFPVBQESA-N
XLogP0.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-chlorophenyl)methyl]imidazolidin-4-one
CID 163242437
3-benzyl-1,4-diazepan-2-one
CID 78068532
(3R)-3-benzylpiperazine-2,5-dione
CID 928691
(4S,12S)-4,12-dibenzyl-3,6,10,13,19-pentazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-5,11-dione
CID 11547343
(3S,5R)-3-benzyl-5-cyclohexylpiperazin-2-one
CID 132820338
trans-(6S,21S)-3,6,18,21-tetrabenzyl-1,4,7,16,19,22-hexazacyclotriacontane-2,5,8,17,20,23-hexone
CID 177459513
(3S,5S)-3-benzyl-5-cyclohexylpiperazin-2-one
CID 132820346
trans-(12S,17S)-12,17-dibenzyl-1,4,7-trioxa-10,13,16,19-tetrazacyclohenicosane-11,14,15,18-tetrone
CID 101211209
6-benzylpiperazine-2,3,5-trione
CID 14446168
(5S)-5-benzylpyrrolidine-2,4-dione
CID 82404721
(5S)-5-(phenyl(113C)methyl)imidazolidine-2,4-dione
CID 53360215
(3S,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione
CID 6951076

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzylimidazolidin-4-one?
The IUPAC name of (5S)-5-benzylimidazolidin-4-one (CID 174267947) is (5S)-5-benzylimidazolidin-4-one.
What is the SMILES notation for (5S)-5-benzylimidazolidin-4-one?
The canonical SMILES for (5S)-5-benzylimidazolidin-4-one is O=C1NCN[C@H]1Cc1ccccc1.
What is the InChIKey of (5S)-5-benzylimidazolidin-4-one?
The InChIKey is VJCFNANHVFYVOX-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12N2O/c13-10-9(11-7-12-10)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)/t9-/m0/s1.
What are the key properties of (5S)-5-benzylimidazolidin-4-one?
(5S)-5-benzylimidazolidin-4-one has a molecular weight of 176.22 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzylimidazolidin-4-one is sourced from PubChem (CID 174267947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).